N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide

C25H27N5O5S — CID 46345778

IUPACN-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c3)CC2)cc1
InChIInChI=1S/C25H27N5O5S/c1-18(31)27-20-3-9-24(10-4-20)36(33,34)28-21-15-19(16-26-17-21)25(32)30-13-11-29(12-14-30)22-5-7-23(35-2)8-6-22/h3-10,15-17,28H,11-14H2,1-2H3,(H,27,31)
InChIKeyIVPISXMBMCBXSA-UHFFFAOYSA-N
MW509.59 g/mol
LogP2.81
Rot. Bonds7

About N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide

N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide (PubChem CID 46345778) has the molecular formula C25H27N5O5S and a molecular weight of 509.59 g/mol. Its IUPAC name is N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
PubChem CID46345778
Molecular FormulaC25H27N5O5S
Molecular Weight509.59 g/mol
Exact Mass509.17
IUPAC NameN-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c3)CC2)cc1
InChIInChI=1S/C25H27N5O5S/c1-18(31)27-20-3-9-24(10-4-20)36(33,34)28-21-15-19(16-26-17-21)25(32)30-13-11-29(12-14-30)22-5-7-23(35-2)8-6-22/h3-10,15-17,28H,11-14H2,1-2H3,(H,27,31)
InChIKeyIVPISXMBMCBXSA-UHFFFAOYSA-N
XLogP2.81
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3000004
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 46345779
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 9158819
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide (CID 46345778) is N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide is COc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c3)CC2)cc1.
What is the InChIKey of N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The InChIKey is IVPISXMBMCBXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S/c1-18(31)27-20-3-9-24(10-4-20)36(33,34)28-21-15-19(16-26-17-21)25(32)30-13-11-29(12-14-30)22-5-7-23(35-2)8-6-22/h3-10,15-17,28H,11-14H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide has a molecular weight of 509.59 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46345778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).